1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

C19H26BrN5O2 — CID 118451555

IUPAC1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C19H26BrN5O2/c1-4-26-10-15-24-16-17(25(15)11-19(2,3)27-8-7-21)13-6-5-12(20)9-14(13)23-18(16)22/h5-6,9H,4,7-8,10-11,21H2,1-3H3,(H2,22,23)
InChIKeyRNJCSLXTDAQCMP-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.22
Rot. Bonds8

About 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 118451555) has the molecular formula C19H26BrN5O2 and a molecular weight of 436.35 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID118451555
Molecular FormulaC19H26BrN5O2
Molecular Weight436.35 g/mol
Exact Mass435.13
IUPAC Name1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C19H26BrN5O2/c1-4-26-10-15-24-16-17(25(15)11-19(2,3)27-8-7-21)13-6-5-12(20)9-14(13)23-18(16)22/h5-6,9H,4,7-8,10-11,21H2,1-3H3,(H2,22,23)
InChIKeyRNJCSLXTDAQCMP-UHFFFAOYSA-N
XLogP3.22
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 118451555) is 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is RNJCSLXTDAQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN5O2/c1-4-26-10-15-24-16-17(25(15)11-19(2,3)27-8-7-21)13-6-5-12(20)9-14(13)23-18(16)22/h5-6,9H,4,7-8,10-11,21H2,1-3H3,(H2,22,23).
What are the key properties of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 436.35 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 118451555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).